1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol

C17H18ClFO — CID 82802408

IUPAC1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)cc(CC(O)Cc2cccc(Cl)c2F)c1
InChIInChI=1S/C17H18ClFO/c1-11-6-12(2)8-13(7-11)9-15(20)10-14-4-3-5-16(18)17(14)19/h3-8,15,20H,9-10H2,1-2H3
InChIKeyKKDUNFOKFXKYQP-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.24
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol

1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol (PubChem CID 82802408) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol
PubChem CID82802408
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)cc(CC(O)Cc2cccc(Cl)c2F)c1
InChIInChI=1S/C17H18ClFO/c1-11-6-12(2)8-13(7-11)9-15(20)10-14-4-3-5-16(18)17(14)19/h3-8,15,20H,9-10H2,1-2H3
InChIKeyKKDUNFOKFXKYQP-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 82803292
1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039694
1-(3-chloro-2-fluorophenyl)-3-(2-methylphenyl)propan-2-ol
CID 82803418
1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920732
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82788489
1-(3-chloro-2-fluorophenyl)hex-4-yn-2-ol
CID 82802719
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
1-(3-chloro-2-fluorophenyl)pentane-2,3-diol
CID 103454687
1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol (CID 82802408) is 1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol is Cc1cc(C)cc(CC(O)Cc2cccc(Cl)c2F)c1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol?
The InChIKey is KKDUNFOKFXKYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-11-6-12(2)8-13(7-11)9-15(20)10-14-4-3-5-16(18)17(14)19/h3-8,15,20H,9-10H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol?
1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol has a molecular weight of 292.78 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 82802408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).